Found 33 results

Search term: MF = 'C_{32}H_{45}NO_{6}'
ChemSpider 2D Image | (5R,8S,11R,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-d iol | C32H45NO6

(5R,8S,11R,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-d iol

  • Molecular FormulaC32H45NO6
  • Average mass539.703 Da
  • Monoisotopic mass539.324707 Da
  • ChemSpider ID18644275

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R,8S,11R,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-d iol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol, 11-[4-(dimethylamino)phenyl]-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)-, (5R,8S,11R,13 S,14S,17R)- [ACD/Index Name]
(5a,11b)-11-[4-(Dimethylamino)phenyl]-5,17-dihydroxy-19-norpregn-9-ene-3,20-dione cyclic bis(1,2-ethanediyl acetal)
126690-41-3 [RN]
19-Norpregn-9-ene-3,20-dione, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-, cyclic 3,20-bis(1,2-ethanediyl acetal), (5?,11?)-
MFCD23160371

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 697.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.2±3.0 kJ/mol
    Flash Point: 375.3±31.5 °C
    Index of Refraction: 1.620
    Molar Refractivity: 148.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 4.54
    ACD/LogD (pH 5.5): 4.33
    ACD/BCF (pH 5.5): 981.24
    ACD/KOC (pH 5.5): 4030.39
    ACD/LogD (pH 7.4): 4.59
    ACD/BCF (pH 7.4): 1822.26
    ACD/KOC (pH 7.4): 7484.82
    Polar Surface Area: 81 Å2
    Polarizability: 58.8±0.5 10-24cm3
    Surface Tension: 58.0±5.0 dyne/cm
    Molar Volume: 421.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement